CID 71332392

100675-39-6

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CCC1=C(C(=CC=C1)CC)N(CO)C(=O)CCl
InChI
InChI=1S/C13H18ClNO2/c1-3-10-6-5-7-11(4-2)13(10)15(9-16)12(17)8-14/h5-7,16H,3-4,8-9H2,1-2H3
InChIKey
ZROZUVJQGAITPU-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-diethylphenyl)-N-(hydroxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

255.1026 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.109876 157.7
[M+Na]+ 278.091818 165.0
[M-H]- 254.095324 161.3
[M+NH4]+ 273.136423 175.7
[M+K]+ 294.065758 161.5
[M+H-H2O]+ 238.099860 152.3
[M+HCOO]- 300.100801 176.2
[M+CH3COO]- 314.116451 198.5
[M+Na-2H]- 276.077266 159.7
[M]+ 255.10205142 162.0
[M]- 255.10314858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe